• Title/Summary/Keyword: Dissociation reaction

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Characterization of dissociation catalysts for waste plastics (폐플라스틱 분해 촉매의 특성)

  • Kim, Moon-Chan;Lee, Cheal-Gyu
    • Analytical Science and Technology
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    • v.23 no.4
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    • pp.383-388
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    • 2010
  • Catalytic dissociation reaction was studied in order to transform waste plastics to oil by using noble metal supported catalysts. XRD, SEM, and GC/MSD analysis were performed to find the crystalline structure and shape, and product distribution. Generally, dissociation reaction occurs at low temperature compared to pyrolysis. Dissociation reaction has advantage of gasoline yield with respect to pyrolysis which products mainly $C_1\simC_4$. The result of dissociation reaction, gasoline was obtained much as a product. $C_5\simC_{11}$ compounds were produced as a gasoline product on Pt-zeolite among noble metal catalysts at $340^{\circ}C$. The conversion of dissociation reaction of waste plastics on the prepared catalyst was above 70% over $340^{\circ}C$.

Adsorption and Dissociation Reaction of Carbon Dioxide on Pt(111) and Fe(111) Surface: MO-study

  • Jo, Sang Jun;Park, Dong Ho;Heo, Do Seong
    • Bulletin of the Korean Chemical Society
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    • v.21 no.8
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    • pp.779-784
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    • 2000
  • Comparing the adsorption properties and dissociation on a Pt(111) iththat ona Fe(111) surface, we have con-sidered seven coordination modes of the adsorbed binding site: $di-${\sigma}$${\Delta}$\mu\pi/\mu$, 1-fbld,2-fold, and 3-fbld sites. On the Pt(111) surface, t he adsorbed binding site of carbon dioxide was strongestat the1-fold site and weakest at the $\pi/\mu-site.$ The adsorbed binding site on the Fe(111) surface was strongest at the di-бsite and weakest at the 3-fold site. We have found that the binding energy at each site that excepted 3-fold on the Fe(111) surface was stronger than the binding energy on the Pt(111) surface and that chemisorbed $CO_2bends$ because of metal mixing with $2\piu${\rightarrow}$6a_1CO_2orbital.$, The dissociation reaction occured in two steps, with an intermediate com-plex composed of atomic oxygen and ${\pi}bonding$ CO forming. The OCO angles of reaction intermediate com-plex structure for the dissociation reaction $were115^{\circ}Con$ the Pt(111), and $117^{\circ}C$ on the Fe(111) surface. We have found that the $CO_2dissociation$ rea11) surface proceeds easily,with an activationenergy about 0.2 eV lower than that on the Pt(111) surface.

Mechanistic Study of Half-titanocene-based Reductive Pinacol Coupling Reaction

  • Kim, Young-Jo;Do, Young-Kyu;Park, Sung-Jin
    • Bulletin of the Korean Chemical Society
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    • v.32 no.11
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    • pp.3973-3978
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    • 2011
  • The reductive pinacol coupling reaction of aldehydes or ketones creating a new C-C bond has been a major tool to produce 1,2-diol compounds. The reaction mechanism is known to be composed of sequential three steps (activation, coupling, and dissociation). In this work, we studied the dissociation step of half-titanocene-based catalytic systems. Cp and $Cp^*$ derivatives of the pinacolato-bridged dinuclear complex were synthesized and evaluated as possible models for intermediates from the coupling step. We monitored $^1H$-NMR spectra of the reaction between the metalla-pinacol intermediates and $D_2O$. New reaction routes of the dissociation step including oxo- and pinacolato-dibridged dinuclear complexes and oxo-bridged multinuclear complexes have been suggested.

The Dissociation Constants of Valines in Aqueous Solution (수용액 중에서 발린류의 해리상수)

  • Jung-Ui Hwang;Yong-Woo Kwak;Jae-Won Jung;Chon-Ho Kil
    • Journal of the Korean Chemical Society
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    • v.35 no.2
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    • pp.105-110
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    • 1991
  • The dissociation constants of valine and norvaline in aqueous solution were measured by conductometric method in various temperatures and pressures. The properties of the dissociation reaction were discussed in term of the thermodynamic properties of reaction. These substituted effects on the dissociation reaction were discussed on the points of Hammett relation and net charge of the O and N-atom calculated from CNDO/2 method respectively.

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The Effects of Substituent, Pressure and Temperature on the Dissociation Constants of Organic Acids (VII). Dissociation Constants of Some ${\omega}$-Amino Acid in Aqueous Solution (유기산의 해리평형에 미치는 치환기 효과와 그의 온도 및 압력의 영향 (제 7 보). 수용액중에서 몇가지 ${\omega}$-아미노산의 해리)

  • Jung Ui Hwang;Young Woo Kwak;Jae Won Jung
    • Journal of the Korean Chemical Society
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    • v.33 no.4
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    • pp.343-349
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    • 1989
  • The dissociation constants of ${\beta}$-alanine and ${\gamma}$-aminobutyric acid were measured in the temperature range from 20 to $40^{\circ}C$ and pressure up to 2,500 bar by conductometric method. The both dissociation constants of respective amino acid increase with temperature increase but pressure effect is not same as the temperature. The $K_1$ increases as pressure increases but $K_2$ decreases. The properties of these amino acids were discussed in terms of the thermodynamic properties of the dissociation reaction. A relationship between the dissociation constants and the distance between substituted groups of amino acid was discussed. The substituted effects of the reaction were deduced from Hammett reaction and substituted constants which were calculated from the measured dissociation constants.

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Hyperthermal Collision-induced Dissociation of Bromotoluene Radical Cations at Self-Assembled Monolayer Surfaces

  • Jo, Sung-Chan;Augusti, Rodinei;Cooks, R. Graham
    • Mass Spectrometry Letters
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    • v.2 no.1
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    • pp.24-27
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    • 2011
  • Hyperthermal ion/surface collisions of bromotoluene radical cations were studied using perfluorinated (F-SAM) and hydroxyl-terminated (OH-SAM) self-assembled monolayer surfaces in a tandem mass spectrometer with BEEQ geometry. The isomers were differentiated by ion abundance ratios taken from surface-induced dissociation (SID). The dissociation rate followed the order of ortho > meta > para isomers. The peak abundance ratio of m/z 51 to m/z 65 showed the best result to discern the isomers. A dissociation channel leading to tolylium ion was suggested to be responsible for the pronounced isomeric differences. The capability of SID to provide high-energy activation with narrow internal energy distribution may have channeled the reaction into the specific dissociation pathway, also facilitating small differences in reaction rates to be effective in the spectral time window of this experiment. All of the molecular ions experiencing reactive collisions with the F-SAM surface undergo transhalogenation, in which a fluorine atom on the surface replaces the bromine in the incoming ions. This reactive collision was dependent on the laboratory collision energy occurring in ca. 40.75 eV range.

Reconsideration of CN Radiation an d $C_2$ Dissociation Rate Coefficient ($C_2$의 해리 반응 계수와 CN 복사에 대한 재고찰)

  • Hyun, Seong-Yoon;Park, Chul;Chang, Keun-Shik
    • 한국전산유체공학회:학술대회논문집
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    • 2008.03b
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    • pp.92-95
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    • 2008
  • We performed the theoretical calculation of CN Violet radiation using the code SPRADIAN07 to predict the Lee et al.'s experimental measurements and to reinvestigate $C_2$ dissociation rate. CN Violet radiations are calculated under the Boltzmann and non-Boltzmann distribution using two chemical reaction sets: Park-Losev-G\"{o}kcen-Tsang and Park-Losev-G\"{o}kcen-Tsang-Lee models. Our SPRADIAN07 calculations show improvement in prediction of absolute radiation intensity of CN Violet and its decay rate by Park-Losev-G\"{o}kcen-Tsang reaction set with $C_2$ dissociation rate coefficient of $k_f$ = 1.5${\times}$10$^{16}$ exp(-71,600/$T_x$) cm$^3$ mole$^{-1}$ s$^{-1}$.

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The Effects of Substituent, Pressure and Temperature on the Dissociation Constants of Organic Acids. (6) Dissociation Constants of Some Amino Acids in Aqueous Solution (유기산의 해리평행에 미치는 치환기효과와 그의 온도 및 압력의 영향. (6) 수용액중에서 몇가지 아미노산의 해리상수)

  • Jung-Ui Hwang;Woo-Bung Lee;Jong-Keun Chae;Hak-Sung Kim
    • Journal of the Korean Chemical Society
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    • v.31 no.5
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    • pp.400-405
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    • 1987
  • The two dissociation constants of three amino acid, glycine, alanine, and tryptophan were measured by the conductometric method in the temperature from 15 to 35$^{\circ}$C and pressure up to 2,500bar in aqueous solution. The both dissociation constants were increased as the temperature increased but the pressure effect were not same as the temperature effect. The first constants were increased as the pressure increased but second constants were decreased except tryptophan. The characteristic properties of these amino acids were discussed from the thermodynamic properties of the dissociation reaction. The substituted effects of the reaction were deduced from Hammett reaction and substituted constants which were calculated from the dissociation constants.

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Adsorption Configuration of Serine on Ge(100): Competition between the Hydroxymethyl and Carboxyl groups of Serine During the Adsorption Reaction

  • Kim, Ye-Won;Yang, Se-Na;Lee, Han-Gil
    • Proceedings of the Korean Vacuum Society Conference
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    • 2011.08a
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    • pp.182-182
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    • 2011
  • We investigated the adsorption structures of serine on a Ge(100) surface by core-level photoemission spectroscopy (CLPES) in conjunction with density functional theory (DFT) calculations. The adsorption energies calculated using DFT methods suggested that four of six adsorption structures were plausible. These structures were the "O-H dissociated-N dative bonded structure", the "O-H dissociation bonded structure", the "Om-H dissociated-N dative bonded structure", and the "Om-H dissociation bonded structure" (where Om indicates the hydroxymethyl oxygen). These structures are equally likely, according to the adsorption energies alone. The core-level C 1s, N 1s, and O 1s CLPES spectra confirmed that the carboxyl oxygen competed more strongly with the hydroxymethyl oxygen during the adsorption reaction, thereby favoring formation of the "O-H dissociated-N dative bonded" and "O-H dissociation bonded" structures at 0.30 ML and 0.60 ML, respectively. The experimental results were corroborated theoretically by calculating the reaction pathways leading to the two adsorption geometries. The reaction pathways indicated that the "O-H dissociated-N dative bonded structure" is the major product of serine adsorption on Ge(100) due to comparably stable adsorption energy.

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Alkyl Group Dissociation During Corona Excitation of Alkylbenzenes

  • Yoon, Young-Wook;Lee, Sang-Kuk
    • Journal of the Korean Chemical Society
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    • v.55 no.5
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    • pp.741-745
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    • 2011
  • Well-resolved vibronic emission spectra were recorded in the visible region from the corona discharge of precursor alkylbenzenes in a technique of corona excited supersonic expansion using a pinhole-type glass nozzle. From the observed spectra, we found the evidence of the presence of benzyl-type radicals generated by dissociation of C-C or C-H bonds of alkyl group. After identification of benzyl-type radicals formed in the corona discharge, we suggest that energy densities in alkyl chain play a crucial role in determining the bond dissociation during corona excitation.